SCHEMBL7065056

SCHEMBL7065056

CCCCCCCCC1Cc2cc(-c3ccc(Br)cn3)cc(F)c2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCAR2 Q8TDS4 2/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
STAT3 P40763 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7065554 0.86 RAB9A (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7062160 0.79 FYN (0.38) HCAR2
SCHEMBL7061245 0.75 RARB (0.41) RAB9ANPC1TP53
SCHEMBL7064930 0.74 S1PR1 (0.39)
SCHEMBL7065595 0.72 KCNH2 (0.35) HCAR2
SCHEMBL7061221 0.70 CYP3A4 (0.39) HCAR2
SCHEMBL8553264 0.70 CYP3A4 (0.38) RAB9ANPC1SMN1; SMN2L3MBTL1GAA
SCHEMBL8556271 0.70 NPC1 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9850823 0.69 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9850805 0.69 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027403-B1 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RES & TECH GMBH & CO (DE) 2003-05-28 EP disclosed
US-6485797-B1 5-Arylindane derivatives and ferroelectric liquid crystal mixture containing same AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-11-26 US disclosed
EP-1027403-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-16 EP disclosed
WO-1999019420-A2 5-ARYLINDANE DERIVATIVES AND FERROELECTRIC LIQUID CRYSTAL MIXTURE CONTAINING SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-22 WO disclosed